SCHEMBL22825005

SCHEMBL22825005

N=c1c2ccccc2oc2cccc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NQO1 P15559 1/20 0.44
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 3/20 0.42
GLA P06280 2/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2337790 0.84 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTMEN1
Iodide SCHEMBL8114884 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL18297997 0.79 MAOA (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6354852 0.77 MAOA (0.63) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3872856 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL17584773 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL29963817 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL21074055 0.73 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL18902983 0.72 HPGD (0.52) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6648325 0.72 GAA (0.56) ALDH1A1HPGDKDM4EMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020256376-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-12-24 WO disclosed